In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 14 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.83 | 3.46 | -9.84 | 1 | 3 | 0 | 50 | 294.919 | 0 | ↓ |
Hi High (pH 8-9.5) | 3.28 | 2.38 | -29.61 | 0 | 3 | -1 | 53 | 293.911 | 0 | ↓ |